Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Bring the force calculation outside of simplemd #959

Open
GiovanniBussi opened this issue Jul 6, 2023 · 1 comment
Open

Bring the force calculation outside of simplemd #959

GiovanniBussi opened this issue Jul 6, 2023 · 1 comment

Comments

@GiovanniBussi
Copy link
Member

There could be a LENNARD_JONES action, that is added by default in simplemd, but can be used from other codes as well.
@invemichele
Copy link
Contributor

In case it's useful, this LENNARDJONES action https://github.com/invemichele/OPESexpanded/blob/master/water/LennardJones.cpp was written by @PabloPiaggi, we used it here https://www.plumed-nest.org/eggs/20/022/data/water/plumed.dat.html

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@GiovanniBussi @invemichele